2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid

C15H18N2O4 — CID 103802927

IUPAC2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1coc2ccccc12
InChIInChI=1S/C15H18N2O4/c1-16(2)7-8-17(9-14(18)19)15(20)12-10-21-13-6-4-3-5-11(12)13/h3-6,10H,7-9H2,1-2H3,(H,18,19)
InChIKeyVINRGBHERWDRDA-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.52
Rot. Bonds6

About 2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid

2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 103802927) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID103802927
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1coc2ccccc12
InChIInChI=1S/C15H18N2O4/c1-16(2)7-8-17(9-14(18)19)15(20)12-10-21-13-6-4-3-5-11(12)13/h3-6,10H,7-9H2,1-2H3,(H,18,19)
InChIKeyVINRGBHERWDRDA-UHFFFAOYSA-N
XLogP1.52
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 99123443
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77020847
N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide
CID 78959159
2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid
CID 107424030
N-(cyclopropylmethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77086659
CID 89242212
CID 89242212
2-[(2-bromo-3-methylbenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107981567
2-[2-(dimethylamino)ethyl-(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107424105
1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794594
2-[(3-bromo-2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423704
N',N'-dimethyl-1-benzofuran-3-carbohydrazide
CID 116848024
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide
CID 115760134

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid (CID 103802927) is 2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)c1coc2ccccc12.
What is the InChIKey of 2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is VINRGBHERWDRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16(2)7-8-17(9-14(18)19)15(20)12-10-21-13-6-4-3-5-11(12)13/h3-6,10H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 103802927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).